SCHEMBL1461869

SCHEMBL1461869

N#Cc1ccc(N2CCNC2=O)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDO2 P48775 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
GRM5 P41594 5/20 0.43
GPR119 Q8TDV5 1/20 0.41
MAOB P27338 1/20 0.40
PANK3 Q9H999 5/20 0.40
CRHR1 P34998 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2708274 0.81 CYP11B2 (0.45) CYP11B2KDM4EALDH1A1L3MBTL1OPRM1
SCHEMBL853306 0.79 TDO2 (0.49) ALDH1A1TDO2GRM5CYP1A2CYP3A4
SCHEMBL26125601 0.79 OPRM1 (0.46) CYP11B2KDM4EALDH1A1L3MBTL1OPRM1
SCHEMBL26932382 0.78 KDM4E (0.44) CYP11B2KDM4EALDH1A1L3MBTL1GPR119
SCHEMBL30666373 0.78 KDM4E (0.44) CYP11B2KDM4EALDH1A1L3MBTL1GPR119
SCHEMBL412734 0.78 TDO2 (0.48) KDM4EALDH1A1TDO2PANK3CYP1A2
SCHEMBL19454936 0.78 TDO2 (0.48) TDO2GRM5GPR119CYP1A2CYP3A4
SCHEMBL7274997 0.77 KDM4E (0.42) KDM4EALDH1A1L3MBTL1GRM5MAOB
SCHEMBL20391221 0.77 CYP11B2 (0.50) CYP11B2KDM4EALDH1A1L3MBTL1OPRM1
SCHEMBL27947502 0.77 KDM4E (0.46) CYP11B2KDM4EALDH1A1L3MBTL1OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
CN-102639523-A Substituted (heteroarylmethyl) thiohydantoin useful as anticancer agents BAYER SCHERING PHARMA AG 2012-08-15 CN disclosed
EP-2475653-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS Bayer Pharma Aktiengesellschaft (DE) 2012-07-18 EP disclosed
WO-2011029537-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 WO disclosed
WO-2011029537-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins TPMT, BPHL, VHL CYP11B2 4/4885KDM4E 2244/4885ALDH1A1 186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.